%nprocs=48
%mem=350GB
%chk=3h-ptbu3-6cne03-ec1.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.03564        0.00452       -0.36289
O          0.03528       -1.58627       -1.59889
H          0.89795       -1.98170       -1.35036
H          4.77295       -1.38672       -3.31155
H          6.34803        0.73080       -3.02636
H          5.69345        2.40040       -3.08169
C          5.41634        1.33163       -2.98812
C          3.87271       -1.12464       -2.72075
H          3.21405       -0.51048       -3.36661
H          3.34031       -2.06523       -2.47249
H          4.78750        1.07239       -3.85951
H          5.38066       -0.80234        0.39570
C          4.22399       -0.38972       -1.41356
C          4.66634        1.11039       -1.67159
C          5.22269       -1.22584       -0.61338
H          6.20192       -1.28678       -1.13025
O          1.17354        0.83086       -1.93319
O          3.42004        1.80727       -1.72882
H          1.26140        0.02720       -2.49131
H          6.52970        1.26907       -0.49010
B          2.40909        1.04403       -1.02866
C          5.50209        1.68383       -0.51363
O          3.03018       -0.22709       -0.63562
H          4.83704       -2.25837       -0.49086
H          5.56910        2.78204       -0.64092
H          5.02295        1.48740        0.46430
P         -1.18099       -1.20377        1.17741
H         -0.36800        0.43451        3.91945
H         -0.14664        1.13030        2.29307
C         -0.89687        0.87758        3.05944
H         -1.35669        1.82480        3.40612
H         -3.52337       -1.39647        3.39152
H         -3.88488        0.30907        1.37617
C         -2.69059       -0.73421        3.68126
C         -1.99587       -0.04232        2.49595
C         -2.99669        0.85632        1.74071
H         -3.10826        0.05673        4.34042
H         -2.51394        1.36255        0.88000
H         -1.97694       -1.31539        4.29569
H         -3.35246        1.64671        2.43391
H         -3.89835       -1.76812       -1.44430
H         -3.48515       -0.27857       -0.55009
C         -3.08167       -1.24333       -0.90424
C         -2.59123       -2.16109        0.23811
H         -1.20580       -3.20494       -1.09029
C         -2.05479       -3.44639       -0.42517
H         -1.76606       -4.22577        0.30366
H         -2.26714       -1.04518       -1.62577
H         -4.33287       -1.67122        1.52621
C         -3.77530       -2.54540        1.14277
H         -3.47220       -3.17645        1.99972
H         -2.87571       -3.86951       -1.04211
H         -4.48905       -3.14000        0.53410
H          1.59833       -2.31428        0.56726
H          0.40855       -3.62376        0.21923
C          0.93923       -3.08324        1.02052
H          1.59075       -3.81240        1.54729
C         -0.00659       -2.45291        2.06519
C          0.89532       -1.69085        3.05557
H          1.70378       -2.37874        3.38055
C         -0.76490       -3.55719        2.82485
H         -1.33789       -4.22240        2.15376
H         -0.02393       -4.19052        3.35754
H         -1.45837       -3.15353        3.58527
H          0.35652       -1.36997        3.96514
H          1.37637       -0.80935        2.58773
H          3.24496        1.19654        1.67569
H          2.48521        2.73036        3.49693
C          2.35804        1.83315        1.53538
C          1.93694        2.67674        2.54268
H          0.86118        4.41235        4.35751
C          1.69938        1.78747        0.25699
C          0.76762        3.49318        2.38305
C          0.29854        4.34225        3.41484
C          0.51273        2.54462        0.11166
C          0.02356        3.40119        1.15456
C         -0.88311        5.07875        3.25335
H          0.03679        2.62166       -0.88013
C         -1.16414        4.16962        1.00996
C         -1.61912        4.98836        2.03173
H         -1.72638        4.10140        0.06585
H         -2.54036        5.57650        1.91599
C         -1.35949        5.91913        4.31277
N         -1.75821        6.60372        5.17991

